3-ethyl-3-methylpiperazin-2-one

• ChemBase ID: 308910
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1(=O)C(NCCN1)(CC)C
• Canonical SMILES: CC1(CC)NCCNC1=O
• InChI: InChI=1S/C7H14N2O/c1-3-7(2)6(10)8-4-5-9-7/h9H,3-5H2,1-2H3,(H,8,10)
• InChIKey: HRLGRZNOSFTARL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-3-methylpiperazin-2-one
• IUPAC Traditional name: 3-ethyl-3-methylpiperazin-2-one
• Synonyms: 3-ethyl-3-methyl-2-piperazinone

Database IDs

• CAS Number: 890926-67-7
• MDL Number: MFCD12402122

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8403137
• LogD (pH = 7.4): -0.25100088
• Log P: 0.05436587
• Molar Refractivity: 39.2591 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 41.13 Å^2